N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide

C23H24N4O5S — CID 3249350

IUPACN-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(C)CC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H24N4O5S/c1-15(28)24-16-7-9-17(10-8-16)33(31,32)25-20-21(27-13-11-26(2)12-14-27)23(30)19-6-4-3-5-18(19)22(20)29/h3-10,25H,11-14H2,1-2H3,(H,24,28)
InChIKeyQGZJJVMTJMWGFO-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.46
Rot. Bonds5

About N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 3249350) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID3249350
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(C)CC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H24N4O5S/c1-15(28)24-16-7-9-17(10-8-16)33(31,32)25-20-21(27-13-11-26(2)12-14-27)23(30)19-6-4-3-5-18(19)22(20)29/h3-10,25H,11-14H2,1-2H3,(H,24,28)
InChIKeyQGZJJVMTJMWGFO-UHFFFAOYSA-N
XLogP1.46
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

USP30 inhibitor 18
CID 142474792
4-[(1,4-Dioxo-2-naphthalenyl)amino]benzenesulfonamide
CID 12387471
2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide
CID 10006907
4-[(3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino]benzenesulfonamide
CID 367783
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 2279440
N-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 4261850
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3610813
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 892408
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide (CID 3249350) is N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(C)CC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is QGZJJVMTJMWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-15(28)24-16-7-9-17(10-8-16)33(31,32)25-20-21(27-13-11-26(2)12-14-27)23(30)19-6-4-3-5-18(19)22(20)29/h3-10,25H,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 468.54 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3249350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).